3-Phenylbutyric acid

3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene.

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Catalog Number CBB1115657
Alternative Name(s) (±)-3-Phenylbutyric acid; (±)-β-Methylhydrocinnamic acid
Molecular Formula CH3CH(C6H5)CH2COOH
CAS# 4593-90-2
Purity >98%
Inchi 1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
Inchi Key ZZEWMYILWXCRHZ-UHFFFAOYSA-N
SMILES CC(CC(O)=O)c1ccccc1
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